(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone

C18H26N2O2 — CID 119304906

IUPAC(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(COc3ccccc3)CC2)CCCC1
InChIInChI=1S/C18H26N2O2/c19-18(10-4-5-11-18)17(21)20-12-8-15(9-13-20)14-22-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,19H2
InChIKeyHKWJSBMBSAIRBX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.58
Rot. Bonds4

About (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone

(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 119304906) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID119304906
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(COc3ccccc3)CC2)CCCC1
InChIInChI=1S/C18H26N2O2/c19-18(10-4-5-11-18)17(21)20-12-8-15(9-13-20)14-22-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,19H2
InChIKeyHKWJSBMBSAIRBX-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone (CID 119304906) is (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone is NC1(C(=O)N2CCC(COc3ccccc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is HKWJSBMBSAIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(10-4-5-11-18)17(21)20-12-8-15(9-13-20)14-22-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,19H2.
What are the key properties of (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone?
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119304906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).